SCHEMBL19300068

SCHEMBL19300068

CCCCNc1cc(C(=O)O)cc(NCc2ccccn2)c1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ SLC12A2 P55011 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ AQP1 P29972 1/20 0.50
▸ PTGS2 P35354 4/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2741873 0.85 CA2 (0.68) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL15888741 0.84 MAPK14 (0.55) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL2741867 0.84 KDM4E (0.72) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL2741865 0.82 KDM4E (0.71) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL18993700 0.82 ALDH1A1 (0.59) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL2741864 0.82 ALDH1A1 (0.69) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL2875002 0.82 KDM4E (0.69) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL18993714 0.80 KDM4E (0.71) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL12508288 0.80 HPGD (0.69) HPGDHSD17B10KDM4EUSP2ALDH1A1
SCHEMBL15495571 0.80 KDM4E (0.67) HPGDHSD17B10KDM4EUSP2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 — — US disclosed
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HPGD 1373/4885HSD17B10 1264/4885KDM4E 2228/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 HPGD 1048/4885HSD17B10 957/4885KDM4E 2764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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